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About Groenhof 2013 Meth Mol Biol
1) Hybrid quantum mechanics/molecular mechanics (QM/MM) simulations treat the reactive chemical region at a quantum mechanical level while treating the remainder with a molecular mechanics force field, allowing the study of large biological systems. 2) The chapter reviews the basic QM/MM methodology and discusses how properties of larger systems can be obtained from QM/MM simulations. 3) As an example, recent QM/MM molecular dynamics simulations of photobiological systems are able to provide both experimentally accessible quantities and difficult-to-measure information such as reaction mechanisms and amino acid influences.
Detailed Information
| Author: | ['GianlucaTirimbò'] |
|---|---|
| Publication Year: | 2017 |
| Pages: | 24 |
| Language: | English |
| Format: | |
| Price: | FREE |
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